Mechanisms of action for small molecules revealed by structural biology in drug discovery
Q Li, CB Kang - International journal of molecular sciences, 2020 - mdpi.com
Small-molecule drugs are organic compounds affecting molecular pathways by targeting
important proteins. These compounds have a low molecular weight, making them penetrate …
important proteins. These compounds have a low molecular weight, making them penetrate …
Rational design of allosteric modulators: Challenges and successes
A Chatzigoulas, Z Cournia - Wiley Interdisciplinary Reviews …, 2021 - Wiley Online Library
Recent advances in structural biology and computational techniques have revealed
allosteric mechanisms for an abundance of targets leading to the establishment of rational …
allosteric mechanisms for an abundance of targets leading to the establishment of rational …
Existing drugs as broad-spectrum and potent inhibitors for Zika virus by targeting NS2B-NS3 interaction
Z Li, M Brecher, YQ Deng, J Zhang, S Sakamuru, B Liu… - Cell research, 2017 - nature.com
Recent outbreaks of Zika virus (ZIKV) highlight an urgent need for therapeutics. The
protease complex NS2B-NS3 plays essential roles during flaviviral polyprotein processing …
protease complex NS2B-NS3 plays essential roles during flaviviral polyprotein processing …
A conformational switch high-throughput screening assay and allosteric inhibition of the flavivirus NS2B-NS3 protease
M Brecher, Z Li, B Liu, J Zhang, CA Koetzner… - PLoS …, 2017 - journals.plos.org
The flavivirus genome encodes a single polyprotein precursor requiring multiple cleavages
by host and viral proteases in order to produce the individual proteins that constitute an …
by host and viral proteases in order to produce the individual proteins that constitute an …
Hydroxychloroquine inhibits Zika virus NS2B-NS3 protease
Zika virus is a mosquito-transmitted flavivirus that causes devastating fetal outcomes in the
context of maternal infection during pregnancy. An important target for drugs combatting Zika …
context of maternal infection during pregnancy. An important target for drugs combatting Zika …
Antiviral agents against flavivirus protease: prospect and future direction
Flaviviruses cause a significant amount of mortality and morbidity, especially in regions
where they are endemic. A recent example is the outbreak of Zika virus throughout the …
where they are endemic. A recent example is the outbreak of Zika virus throughout the …
Erythrosin B is a potent and broad-spectrum orthosteric inhibitor of the flavivirus NS2B-NS3 protease
Z Li, S Sakamuru, R Huang, M Brecher, CA Koetzner… - Antiviral research, 2018 - Elsevier
Many flaviviruses, such as Zika virus (ZIKV), Dengue virus (DENV1-4) and yellow fever virus
(YFV), are significant human pathogens. Infection with ZIKV, an emerging mosquito-borne …
(YFV), are significant human pathogens. Infection with ZIKV, an emerging mosquito-borne …
JMX0207, a Niclosamide Derivative with Improved Pharmacokinetics, Suppresses Zika Virus Infection Both In Vitro and In Vivo
Flaviviruses causes significant human disease. Recent outbreaks of the Zika virus highlight
the need to develop effective therapies for this class of viruses. Previously we identified …
the need to develop effective therapies for this class of viruses. Previously we identified …
Structures and dynamics of dengue virus nonstructural membrane proteins
Q Li, C Kang - Membranes, 2022 - mdpi.com
Dengue virus is an important human pathogen threating people, especially in tropical and
sub-tropical regions. The viral genome has one open reading frame and encodes one …
sub-tropical regions. The viral genome has one open reading frame and encodes one …
A computational approach applied to the study of potential allosteric inhibitors protease NS2B/NS3 from dengue virus
Dengue virus (DENV) is a danger to more than 400 million people in the world, and there is
no specific treatment. Thus, there is an urgent need to develop an effective method to …
no specific treatment. Thus, there is an urgent need to develop an effective method to …